Bis5-tacrine
rat brain AChE IC50 (nM) 28+/-5; rat serum BuChE IC50(nM) 329+/-21
General
Type : Derivative of Tacrine,Acridine,Alkyl linked bis-ligand
Chemical_Nomenclature : N,N'-bis(1,2,3,4-tetrahydroacridin-9-yl)pentane-1,5-diamine
Canonical SMILES : C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCNC4=C5CCCCC5=NC6=CC=CC=C64
InChI : InChI=1S\/C31H36N4\/c1(10-20-32-30-22-12-2-6-16-26(22)34-27-17-7-3-13-23(27)30)11-21-33-31-24-14-4-8-18-28(24)35-29-19-9-5-15-25(29)31\/h2,4,6,8,12,14,16,18H,1,3,5,7,9-11,13,15,17,19-21H2,(H,32,34)(H,33,35)
InChIKey : NECDJQNRWSICKG-UHFFFAOYSA-N
Other name(s) : CHEMBL179732,Bis-THA inhibitor 4,2cmf,Tacrine Dimer 3a,BDBM8962,SCHEMBL15168191
MW : 464.64
Formula : C31H36N4
CAS_number :
PubChem : 9549197
UniChem : NECDJQNRWSICKG-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Bis5-tacrine ligand of proteins in family: ACHE
Stucture : 2CMF Torpedo californica acetylcholinesterase complexed with alkylene- linked bis-tacrine dimer (5 carbon linker)
Protein : torca-ACHE
References (1)
| Title : Complexes of alkylene-linked tacrine dimers with Torpedo californica acetylcholinesterase: Binding of Bis5-tacrine produces a dramatic rearrangement in the active-site gorge - Rydberg_2006_J.Med.Chem_49_5491 |
| Author(s) : Rydberg EH , Brumshtein B , Greenblatt HM , Wong DM , Shaya D , Williams LD , Carlier PR , Pang YP , Silman I , Sussman JL |
| Ref : Journal of Medicinal Chemistry , 49 :5491 , 2006 |
| Abstract : Rydberg_2006_J.Med.Chem_49_5491 |
| ESTHER : Rydberg_2006_J.Med.Chem_49_5491 |
| PubMedSearch : Rydberg_2006_J.Med.Chem_49_5491 |
| PubMedID: 16942022 |
| Gene_locus related to this paper: torca-ACHE |